2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine

C14H30N2 — CID 62615538

IUPAC2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
SMILESCCCCN(CC)CC1CCCCCC1N
InChIInChI=1S/C14H30N2/c1-3-5-11-16(4-2)12-13-9-7-6-8-10-14(13)15/h13-14H,3-12,15H2,1-2H3
InChIKeyBXPPDPARBKLMBW-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.02
Rot. Bonds6

About 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine

2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine (PubChem CID 62615538) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
PubChem CID62615538
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
SMILESCCCCN(CC)CC1CCCCCC1N
InChIInChI=1S/C14H30N2/c1-3-5-11-16(4-2)12-13-9-7-6-8-10-14(13)15/h13-14H,3-12,15H2,1-2H3
InChIKeyBXPPDPARBKLMBW-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylaminomethyl)cycloheptan-1-amine
CID 62616063
2-[[butyl(methyl)amino]methyl]cyclopentan-1-amine
CID 62616937
2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine
CID 62611425
2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62614941
N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62611045
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63481963
2-[[methyl(pentyl)amino]methyl]cyclopentan-1-amine
CID 62615567
N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992621
2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825
N-[(2-aminocyclohexyl)methyl]-N-butylaniline
CID 64584073
N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine
CID 102997195

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine (CID 62615538) is 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine is CCCCN(CC)CC1CCCCCC1N.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine?
The InChIKey is BXPPDPARBKLMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-5-11-16(4-2)12-13-9-7-6-8-10-14(13)15/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine?
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62615538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).